[Pw_forum] Compatibility between XCrySDen and Quantum ESPRESSO

[Izaak Williamson]

Thanks for all the responses. I guess it was my outdated version of XCrySDen 
that was causing the problem.

On Fri, Jun 17 13:28:47 CEST 2011, Tone Kokalj wrote:
>Why don't you try with the new version:
>http://www.xcrysden.org/download/xc-1.5.24-linux_x86_64-semishared.tar.gz

I downloaded this version and used ./xcConfigure to configure the program. 
Because my previous version was still installed, I had to manually put the 
following lines into my .bashrc file:

#------------------------------------------------------------------------
# this is for XCRYSDEN 1.5.24; added by XCRYSDEN installation on
# Mon Jun 20 16:22:44 PDT 2011
#------------------------------------------------------------------------
XCRYSDEN_TOPDIR=/home/Izaak/XCrySDen/XCrySDen-1.5.24-bin-semishared
XCRYSDEN_SCRATCH=/home/Izaak/xcrys-tmp/
export XCRYSDEN_TOPDIR XCRYSDEN_SCRATCH
PATH="$XCRYSDEN_TOPDIR:$PATH:$XCRYSDEN_TOPDIR/scripts:$XCRYSDEN_TOPDIR/util"

After using the command ". ~/.bashrc" to source it, I try running xcrysden and 
this is what is produced:

+----------------------------------------------------------------+
|****************************************************************|
|*                                                                             
                                               *|
|*  XCrySDen - (X-Window) CRYstalline Structures and DENsities                *|
|*        =         ===         =              ===                            
                                      *|
|*-----------------------------------------------------------------------------------*|

|*                                                                            
                                                *|
|*    Anton Kokalj (Tone.Kokalj at ijs.si)                                         
                     *|
|*    Jozef Stefan Institute, Ljubljana, Slovenia                              
                       *|
|*                                                                            
                                                *|
|*    Copyright (c) 1996--2009 by Anton Kokalj                                  
                *|
|*                                                                              
                                              *|
|****************************************************************|
+----------------------------------------------------------------+

  Version: 1.5.24

  Please report bugs to: Tone.Kokalj at ijs.si


  TERMS OF USE:
  -------------
  XCRYSDEN is released under the GNU General Public License.

  Whenever graphics generated by XCRYSDEN are used in scientific
  publications, it shall be greatly appreciated to include an explicit
  reference. The preferred form is the following:

  [ref] A. Kokalj, Comp. Mater. Sci., Vol. 28, p. 155, 2003.
        Code available from http://www.xcrysden.org/.

TCL_LIBRARY=/home/Izaak/XCrySDen/XCrySDen-1.5.24-bin-semishared/external/lib/tcl8.5

XCRYSDEN_TOPDIR=/home/Izaak/XCrySDen/XCrySDen-1.5.24-bin-semishared
XCRYSDEN_SCRATCH=/home/Izaak/xcrys-tmp/

./xcrysden: line 224: 
/home/Izaak/XCrySDen/XCrySDen-1.5.24-bin-semishared/bin/xcrys: cannot execute 
binary file

What does this error mean? What can I do to correct this? Also, I tried 
compiling XCrySDen-1.5.24-bin-shared but the same error occurred.

Thanks

-- 
Izaak Williamson
Research Assistant
Physics Department
Boise State University
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